Geometry & MOs

Info

ID:

80193

PubChem CID:

49833466

Reduced:

SCl2O3N8H28C36 (1)

Stoich.:

AB2C3D8E28F36 (1)

Weight, g/mol:

368.062006

ΔHf, kcal/mol:

92.72

Dipole, Da:

6.57

IP(EA), eV:

 -9.22(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C2=NC=C(N21)C(=O)NC3(CC3)C(=O)NC4(CC4)C5=NC=C(C=C5)C6=CSC=N6)C7=CC(=CC(=C7)Cl)Cl)CC8=CC=C(C=C8)C#N

DOS

IR

Vibrations